⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7067292 | 0.95 | — | — | |
| SCHEMBL1528424 | 0.83 | — | — | |
| SCHEMBL29109625 | 0.78 | SLC6A4 (0.30) | — | |
| SCHEMBL890430 | 0.71 | — | — | |
| SCHEMBL4806694 | 0.71 | — | — | |
| SCHEMBL28044252 | 0.70 | — | — | |
| SCHEMBL4799772 | 0.68 | — | — | |
| SCHEMBL28011414 | 0.68 | — | — | |
| SCHEMBL22609051 | 0.67 | — | — | |
| SCHEMBL7156894 | 0.67 | ALDH1A1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4614792-A | Anionic polymerization of lactam with alkaline earth metal compound catalyst, lactam compound activator and ester compound | STAMICARBON B.V. (NL) | 1986-09-30 | — | — | US | disclosed |